Molecule Details
| InChIKey | NFPHFQIUODNJRD-LEWJYISDSA-N |
|---|---|
| Compound Name | (2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}butan-2-yl N-[(2S)-1-oxo-1-(1H-pyrazol-5-ylcarbamoyl)hexan-2-yl]carbamate |
| Canonical SMILES | CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.87 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 10.1 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.1 | IC50 | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.7 | IC50 | BindingDB |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 6.8 | IC50 | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 6.7 | IC50 | ChEMBL;BindingDB |